[8-chloranyl-1-(4-chlorophenyl)sulfonyl-4-cyano-2,3-dihydro-1-benzazepin-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [8-chloranyl-1-(4-chlorophenyl)sulfonyl-4-cyano-2,3-dihydro-1-benzazepin-5-yl] 4-methylbenzenesulfonate Openeye Name: [8-chloro-1-(4-chlorophenyl)sulfonyl-4-cyano-2,3-dihydro-1-benzazepin-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [8-chloro-1-(4-chlorophenyl)sulfonyl-4-cyano-2,3-dihydro-1-benzazepin-5-yl] ester IUPAC Name: [8-chloro-1-(4-chlorophenyl)sulfonyl-4-cyano-2,3-dihydro-1-benzazepin-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [8-chloro-1-(4-chlorophenyl)sulfonyl-4-cyano-2,3-dihydro-1-benzazepin-5-yl] ester Formula: C24H18Cl2N2O5S2 MolecularWeight: 549.44612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(CCN(C3=C2C=CC(=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(CCN(C3=C2C=CC(=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C24H18Cl2N2O5S2/c1-16-2-7-21(8-3-16)35(31,32)33-24-17(15-27)12-13-28(23-14-19(26)6-11-22(23)24)34(29,30)20-9-4-18(25)5-10-20/h2-11,14H,12-13H2,1H3